Information card for entry 4084292

Structure parameters

• Common name: sef1_139
• Formula: C42 H50 Cl Co N6 P Ru
• Calculated formula: C42 H50 Cl Co N6 P Ru
• SMILES: [Ru]123456([P]7(c8ccccc8)CCn8c5[n]([Co](Cl)([n]5c9cc(c(cc9n(CC7)c65)C)C)[N]#CC)c5cc(c(cc85)C)C)[c]5([c]1(C)[c]2([c]3([c]45C)C)C)C.N#CC
• Title of publication: Mono- and Dimetalation of a Tridentate Bisimidazole-Phosphine Ligand
• Authors of publication: Flowers, Sarah E.; Cossairt, Brandi M.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 17
• Pages of publication: 4341
• a: 7.9318 ± 0.0004 Å
• b: 13.6965 ± 0.0006 Å
• c: 19.1742 ± 0.0009 Å
• α: 97.261 ± 0.002°
• β: 97.275 ± 0.002°
• γ: 100.672 ± 0.002°
• Cell volume: 2006.4 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No